SCHEMBL9411325

SCHEMBL9411325

c1ccc2c(OCCCC3CCNCC3)noc2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
MGLL Q99685 1/20 0.54
ACHE P22303 3/20 0.47
SLC6A4 P31645 3/20 0.45
SSTR4 P31391 1/20 0.44
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
HTR4 Q13639 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9411314 0.94 FAAH (0.52) FAAHMGLLACHESLC6A4SSTR4
SCHEMBL9411204 0.85 ACHE (0.62) FAAHMGLLACHESLC6A4SSTR4
SCHEMBL9411436 0.79 ACHE (0.78) ACHE
SCHEMBL5332159 0.76 FAAH (0.59) FAAHMGLLACHEHTR4
SCHEMBL30728883 0.75 HRH1 (0.47) FAAHMGLLACHE
SCHEMBL5331706 0.74 FAAH (0.65) FAAHMGLLACHESSTR4
SCHEMBL9411363 0.73 FAAH (0.56) FAAHACHE
Maleic Acid SCHEMBL9411571 0.73 ACHE (0.67) FAAHACHE
Fumaric Acid SCHEMBL9411574 0.73 ACHE (0.67) FAAHACHE
SCHEMBL8442754 0.72 SLC6A4 (0.50) ACHESLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed